Propargyl 2-bromoisobutyrate
Product Information
Molecular Formula
C7H9BrO2
Molecular Weight
205.05
Description
Atom transfer radical polymerization (ATRP) initiator with an acetylene functionality that enables Cu-mediated ligation ("click" chemistry) or other functionalization.
Synonyms
Acetylene ATRP initiator,Acetylene BiB,Propyne 2-bromoisobutyrate
IUPAC Name
prop-2-ynyl 2-bromo-2-methylpropanoate
SMILES
CC(C)(C(=O)OCC#C)Br
InChI
InChI=1S/C7H9BrO2/c1-4-5-10-6(9)7(2,3)8/h1H,5H2,2-3H3
InChI Key
XTILOBFYTKJHJZ-UHFFFAOYSA-N
Boiling Point
188-194 °C
Flash Point
192.2 °F
Purity
>97%
Appearance
solid
Storage
2-8°C
Refractive Index
n20/D 1.465
Computed Properties
XLogP3
1.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
203.97859 g/mol
Monoisotopic Mass
203.97859 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
175
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-112345608-A | Kanamycin electrochemical detection method based on azide alkyne cycloaddition and electrochemical regulation atom transfer radical polymerization | 2020-10-15 |
| EP-3916029-A1 | Novel methacrylate copolymer and compositions comprising it | 2020-05-28 |
| WO-2021239787-A1 | Novel methacrylate copolymer and compositions comprising it | 2020-05-28 |
| CN-111234240-A | Polycaprolactone-based hyperbranched polymer all-solid-state electrolyte and lithium ion battery | 2020-01-15 |
| CN-111234240-B | Polycaprolactone-based hyperbranched polymer all-solid-state electrolyte and lithium ion battery | 2020-01-15 |
| AU-2020397432-A1 | Hydrogel | 2019-12-02 |
| NL-2024749-B1 | Hydrogel | 2019-12-02 |
| WO-2021110700-A1 | Hydrogel | 2019-12-02 |
| CA-3135068-A1 | Hydrogel | 2019-12-02 |
| CN-113767121-A | Hydrogels | 2019-12-02 |
